2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

C18H18N4OS — CID 8892503

IUPAC2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H18N4OS/c1-13(2)22-16(10-12-20-22)21-17(23)15-9-6-11-19-18(15)24-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,21,23)
InChIKeyGYNCBXHIPPPQJH-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.26
Rot. Bonds5

About 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide

2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (PubChem CID 8892503) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
PubChem CID8892503
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide
SMILESCC(C)n1nccc1NC(=O)c1cccnc1Sc1ccccc1
InChIInChI=1S/C18H18N4OS/c1-13(2)22-16(10-12-20-22)21-17(23)15-9-6-11-19-18(15)24-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,21,23)
InChIKeyGYNCBXHIPPPQJH-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide (CID 8892503) is 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is CC(C)n1nccc1NC(=O)c1cccnc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
The InChIKey is GYNCBXHIPPPQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-13(2)22-16(10-12-20-22)21-17(23)15-9-6-11-19-18(15)24-14-7-4-3-5-8-14/h3-13H,1-2H3,(H,21,23).
What are the key properties of 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide?
2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide has a molecular weight of 338.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2-propan-2-ylpyrazol-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 8892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).